8-amino-N-(2,2-dimethylpropyl)-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxamide

C28H27FN6O — CID 152705743

IUPAC8-amino-N-(2,2-dimethylpropyl)-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxamide
SMILESCc1ccnc2ccc(-c3c(-c4ccc(F)cc4)nc(N)c4nc(C(=O)NCC(C)(C)C)cn34)cc12
InChIInChI=1S/C28H27FN6O/c1-16-11-12-31-21-10-7-18(13-20(16)21)24-23(17-5-8-19(29)9-6-17)34-25(30)26-33-22(14-35(24)26)27(36)32-15-28(2,3)4/h5-14H,15H2,1-4H3,(H2,30,34)(H,32,36)
InChIKeyZSNLIZYFGTZMSK-UHFFFAOYSA-N
MW482.56 g/mol
LogP5.42
Rot. Bonds4

About 8-amino-N-(2,2-dimethylpropyl)-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxamide

8-amino-N-(2,2-dimethylpropyl)-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 152705743) has the molecular formula C28H27FN6O and a molecular weight of 482.56 g/mol. Its IUPAC name is 8-amino-N-(2,2-dimethylpropyl)-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name8-amino-N-(2,2-dimethylpropyl)-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID152705743
Molecular FormulaC28H27FN6O
Molecular Weight482.56 g/mol
Exact Mass482.22
IUPAC Name8-amino-N-(2,2-dimethylpropyl)-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxamide
SMILESCc1ccnc2ccc(-c3c(-c4ccc(F)cc4)nc(N)c4nc(C(=O)NCC(C)(C)C)cn34)cc12
InChIInChI=1S/C28H27FN6O/c1-16-11-12-31-21-10-7-18(13-20(16)21)24-23(17-5-8-19(29)9-6-17)34-25(30)26-33-22(14-35(24)26)27(36)32-15-28(2,3)4/h5-14H,15H2,1-4H3,(H2,30,34)(H,32,36)
InChIKeyZSNLIZYFGTZMSK-UHFFFAOYSA-N
XLogP5.42
TPSA98.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.56
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

8-amino-6-(4-fluorophenyl)-N-(3-hydroxypropyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxamide
CID 151528995
[8-amino-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 137372379
8-amino-6-(2-fluorophenyl)-N-methyl-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxamide
CID 148560609
8-amino-N-(1,1-difluoropropan-2-yl)-6-(4-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine-2-carboxamide
CID 151391110
[8-amino-6-(4-fluorophenyl)-5-(3-methylbenzimidazol-5-yl)imidazo[1,2-a]pyrazin-2-yl]-(3-aminopyrrolidin-1-yl)methanone
CID 150738966
5-(4-methylquinolin-6-yl)-6-pyridin-4-yltetrazolo[1,5-a]pyrazin-8-amine
CID 168758978
6-(4-chlorophenyl)-5-(4-methylquinolin-6-yl)tetrazolo[1,5-a]pyrazin-8-amine
CID 168759013
5-[8-amino-6-(4-fluorophenyl)imidazo[1,2-a]pyrazin-5-yl]-3-methyl-1H-pyridin-2-one
CID 137372612
6-(5-methylfuran-2-yl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine
CID 137372466
8-amino-6-(3-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxylic acid
CID 137372419
5-(4-methylquinolin-6-yl)-6-pyridin-3-yltetrazolo[1,5-a]pyrazin-8-amine
CID 168759006
5-(4-fluorophenyl)-6-[4-(trideuteriomethyl)quinolin-6-yl]-1,2,4-triazin-3-amine
CID 142401027

Frequently Asked Questions

What is the IUPAC name of 8-amino-N-(2,2-dimethylpropyl)-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of 8-amino-N-(2,2-dimethylpropyl)-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxamide (CID 152705743) is 8-amino-N-(2,2-dimethylpropyl)-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for 8-amino-N-(2,2-dimethylpropyl)-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for 8-amino-N-(2,2-dimethylpropyl)-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxamide is Cc1ccnc2ccc(-c3c(-c4ccc(F)cc4)nc(N)c4nc(C(=O)NCC(C)(C)C)cn34)cc12.
What is the InChIKey of 8-amino-N-(2,2-dimethylpropyl)-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is ZSNLIZYFGTZMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN6O/c1-16-11-12-31-21-10-7-18(13-20(16)21)24-23(17-5-8-19(29)9-6-17)34-25(30)26-33-22(14-35(24)26)27(36)32-15-28(2,3)4/h5-14H,15H2,1-4H3,(H2,30,34)(H,32,36).
What are the key properties of 8-amino-N-(2,2-dimethylpropyl)-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxamide?
8-amino-N-(2,2-dimethylpropyl)-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 482.56 g/mol, XLogP of 5.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-N-(2,2-dimethylpropyl)-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 152705743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).